2-[2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]ethoxy]ethanol

C15H23BrN2O2 — CID 2227510

IUPAC2-[2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]ethoxy]ethanol
SMILESOCCOCCN1CCN(Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C15H23BrN2O2/c16-15-3-1-14(2-4-15)13-18-7-5-17(6-8-18)9-11-20-12-10-19/h1-4,19H,5-13H2
InChIKeyRULXWZQATCHLHZ-UHFFFAOYSA-N
MW343.26 g/mol
LogP1.58
Rot. Bonds7

About 2-[2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]ethoxy]ethanol

2-[2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]ethoxy]ethanol (PubChem CID 2227510) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.26 g/mol. Its IUPAC name is 2-[2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]ethoxy]ethanol
PubChem CID2227510
Molecular FormulaC15H23BrN2O2
Molecular Weight343.26 g/mol
Exact Mass342.09
IUPAC Name2-[2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]ethoxy]ethanol
SMILESOCCOCCN1CCN(Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C15H23BrN2O2/c16-15-3-1-14(2-4-15)13-18-7-5-17(6-8-18)9-11-20-12-10-19/h1-4,19H,5-13H2
InChIKeyRULXWZQATCHLHZ-UHFFFAOYSA-N
XLogP1.58
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.26
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]ethoxy]ethanol?
The IUPAC name of 2-[2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]ethoxy]ethanol (CID 2227510) is 2-[2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]ethoxy]ethanol?
The canonical SMILES for 2-[2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]ethoxy]ethanol is OCCOCCN1CCN(Cc2ccc(Br)cc2)CC1.
What is the InChIKey of 2-[2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]ethoxy]ethanol?
The InChIKey is RULXWZQATCHLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c16-15-3-1-14(2-4-15)13-18-7-5-17(6-8-18)9-11-20-12-10-19/h1-4,19H,5-13H2.
What are the key properties of 2-[2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]ethoxy]ethanol?
2-[2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]ethoxy]ethanol has a molecular weight of 343.26 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]ethoxy]ethanol is sourced from PubChem (CID 2227510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).